5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carbonitrile Openeye Name: 1-benzyl-5-(5-bromo-2-hydroxy-benzoyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-2-oxo-1-(phenylmethyl)-3-pyridinecarbonitrile IUPAC Name: 1-benzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-benzyl-5-(5-bromo-2-hydroxy-benzoyl)-2-keto-nicotinonitrile Formula: C20H13BrN2O3 MolecularWeight: 409.23282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H13BrN2O3/c21-16-6-7-18(24)17(9-16)19(25)15-8-14(10-22)20(26)23(12-15)11-13-4-2-1-3-5-13/h1-9,12,24H,11H2